5-[ethyl-(4-hexadecoxy-1-oxidanyl-naphthalen-2-yl)carbonyl-amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[ethyl-(4-hexadecoxy-1-oxidanyl-naphthalen-2-yl)carbonyl-amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[ethyl-(4-hexadecoxy-1-hydroxy-naphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[ethyl-[(4-hexadecoxy-1-hydroxy-2-naphthalenyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[ethyl-(4-hexadecoxy-1-hydroxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(4-cetyloxy-1-hydroxy-2-naphthoyl)-ethyl-amino]isophthalic acid Formula: C37H49NO7 MolecularWeight: 619.78746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C2=CC=CC=C21)O)C(=O)N(CC)C3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C2=CC=CC=C21)O)C(=O)N(CC)C3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C37H49NO7/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-45-33-26-32(34(39)31-21-18-17-20-30(31)33)35(40)38(4-2)29-24-27(36(41)42)23-28(25-29)37(43)44/h17-18,20-21,23-26,39H,3-16,19,22H2,1-2H3,(H,41,42)(H,43,44)